1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one

C143H140F2N24O12 — CID 160636146

IUPAC1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
SMILESCc1cc(OCc2c(C)cccc2-n2nnn(C)c2=O)ccc1-c1ccccc1.Cc1ccc(-c2cc(C)c(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)cc1.Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)cc1.Cc1cccc(-c2cc(C)c(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)c1.Cc1cccc(-n2nnn(C)c2=O)c1COc1cc(F)c(-c2ccccc2)c(F)c1.Cc1ccccc1-c1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)cc1C
InChIInChI=1S/2C25H26N4O2.2C24H24N4O2.C23H22N4O2.C22H18F2N4O2/c1-16-8-6-10-20(12-16)21-13-19(4)24(14-18(21)3)31-15-22-17(2)9-7-11-23(22)29-25(30)28(5)26-27-29;1-16-9-11-20(12-10-16)21-13-19(4)24(14-18(21)3)31-15-22-17(2)7-6-8-23(22)29-25(30)28(5)26-27-29;1-16-8-5-6-10-20(16)21-13-12-19(14-18(21)3)30-15-22-17(2)9-7-11-23(22)28-24(29)27(4)25-26-28;1-16-8-10-19(11-9-16)21-13-12-20(14-18(21)3)30-15-22-17(2)6-5-7-23(22)28-24(29)27(4)25-26-28;1-16-8-7-11-22(27-23(28)26(3)24-25-27)21(16)15-29-19-12-13-20(17(2)14-19)18-9-5-4-6-10-18;1-14-7-6-10-20(28-22(29)27(2)25-26-28)17(14)13-30-16-11-18(23)21(19(24)12-16)15-8-4-3-5-9-15/h2*6-14H,15H2,1-5H3;2*5-14H,15H2,1-4H3;4-14H,15H2,1-3H3;3-12H,13H2,1-2H3
InChIKeyRIOFBVNPNIPEDK-UHFFFAOYSA-N
MW2424.84 g/mol
LogP24.79
Rot. Bonds30

About 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one

1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one (PubChem CID 160636146) has the molecular formula C143H140F2N24O12 and a molecular weight of 2424.84 g/mol. Its IUPAC name is 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
PubChem CID160636146
Molecular FormulaC143H140F2N24O12
Molecular Weight2424.84 g/mol
Exact Mass2423.11
IUPAC Name1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one
SMILESCc1cc(OCc2c(C)cccc2-n2nnn(C)c2=O)ccc1-c1ccccc1.Cc1ccc(-c2cc(C)c(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)cc1.Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)cc1.Cc1cccc(-c2cc(C)c(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)c1.Cc1cccc(-n2nnn(C)c2=O)c1COc1cc(F)c(-c2ccccc2)c(F)c1.Cc1ccccc1-c1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)cc1C
InChIInChI=1S/2C25H26N4O2.2C24H24N4O2.C23H22N4O2.C22H18F2N4O2/c1-16-8-6-10-20(12-16)21-13-19(4)24(14-18(21)3)31-15-22-17(2)9-7-11-23(22)29-25(30)28(5)26-27-29;1-16-9-11-20(12-10-16)21-13-19(4)24(14-18(21)3)31-15-22-17(2)7-6-8-23(22)29-25(30)28(5)26-27-29;1-16-8-5-6-10-20(16)21-13-12-19(14-18(21)3)30-15-22-17(2)9-7-11-23(22)28-24(29)27(4)25-26-28;1-16-8-10-19(11-9-16)21-13-12-20(14-18(21)3)30-15-22-17(2)6-5-7-23(22)28-24(29)27(4)25-26-28;1-16-8-7-11-22(27-23(28)26(3)24-25-27)21(16)15-29-19-12-13-20(17(2)14-19)18-9-5-4-6-10-18;1-14-7-6-10-20(28-22(29)27(2)25-26-28)17(14)13-30-16-11-18(23)21(19(24)12-16)15-8-4-3-5-9-15/h2*6-14H,15H2,1-5H3;2*5-14H,15H2,1-4H3;4-14H,15H2,1-3H3;3-12H,13H2,1-2H3
InChIKeyRIOFBVNPNIPEDK-UHFFFAOYSA-N
XLogP24.79
TPSA371.64 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002424.84
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one?
The IUPAC name of 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one (CID 160636146) is 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one?
The canonical SMILES for 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one is Cc1cc(OCc2c(C)cccc2-n2nnn(C)c2=O)ccc1-c1ccccc1.Cc1ccc(-c2cc(C)c(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)cc1.Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)cc1.Cc1cccc(-c2cc(C)c(OCc3c(C)cccc3-n3nnn(C)c3=O)cc2C)c1.Cc1cccc(-n2nnn(C)c2=O)c1COc1cc(F)c(-c2ccccc2)c(F)c1.Cc1ccccc1-c1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)cc1C.
What is the InChIKey of 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one?
The InChIKey is RIOFBVNPNIPEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N4O2.2C24H24N4O2.C23H22N4O2.C22H18F2N4O2/c1-16-8-6-10-20(12-16)21-13-19(4)24(14-18(21)3)31-15-22-17(2)9-7-11-23(22)29-25(30)28(5)26-27-29;1-16-9-11-20(12-10-16)21-13-19(4)24(14-18(21)3)31-15-22-17(2)7-6-8-23(22)29-25(30)28(5)26-27-29;1-16-8-5-6-10-20(16)21-13-12-19(14-18(21)3)30-15-22-17(2)9-7-11-23(22)28-24(29)27(4)25-26-28;1-16-8-10-19(11-9-16)21-13-12-20(14-18(21)3)30-15-22-17(2)6-5-7-23(22)28-24(29)27(4)25-26-28;1-16-8-7-11-22(27-23(28)26(3)24-25-27)21(16)15-29-19-12-13-20(17(2)14-19)18-9-5-4-6-10-18;1-14-7-6-10-20(28-22(29)27(2)25-26-28)17(14)13-30-16-11-18(23)21(19(24)12-16)15-8-4-3-5-9-15/h2*6-14H,15H2,1-5H3;2*5-14H,15H2,1-4H3;4-14H,15H2,1-3H3;3-12H,13H2,1-2H3.
What are the key properties of 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one?
1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one has a molecular weight of 2424.84 g/mol, XLogP of 24.79, 30 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-difluoro-4-phenylphenoxy)methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(3-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[2,5-dimethyl-4-(4-methylphenyl)phenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(2-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[3-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[(3-methyl-4-phenylphenoxy)methyl]phenyl]tetrazol-5-one is sourced from PubChem (CID 160636146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).